CID 6448845

2-(3,4-dimethoxyphenyl)-6-(3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-4h-1-benzopyran-4-one

Structural Information

Molecular Formula
C28H24O7
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)C2=CC3=C(C=C2)OC(=CC3=O)C4=CC(=C(C=C4)OC)OC)OC
InChI
InChI=1S/C28H24O7/c1-31-24-10-6-17(13-27(24)33-3)5-9-21(29)18-7-11-23-20(14-18)22(30)16-26(35-23)19-8-12-25(32-2)28(15-19)34-4/h5-16H,1-4H3/b9-5+
InChIKey
YPHCTCBEWMWYQO-WEVVVXLNSA-N
Compound name
2-(3,4-dimethoxyphenyl)-6-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.1522 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.15948 214.8
[M+Na]+ 495.14142 223.2
[M-H]- 471.14492 226.6
[M+NH4]+ 490.18602 222.0
[M+K]+ 511.11536 220.9
[M+H-H2O]+ 455.14946 202.9
[M+HCOO]- 517.15040 234.5
[M+CH3COO]- 531.16605 239.1
[M+Na-2H]- 493.12687 215.4
[M]+ 472.15165 224.6
[M]- 472.15275 224.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.